Geometry & MOs

Info

ID:	287517
PubChem CID:	104245675
Reduced:	ClN3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	277.134575
ΔH_f, kcal/mol:	27.22
Dipole, Da:	5.92
IP(EA), eV:	-9.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-cyclohexyl-3-cyclopentylpyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2C(=C(C(=N2)C3CCCC3)C#N)Cl

DOS

IR

Vibrations